Quantum simulation for muoniated and deuterated methyl radicals in implicit water solvent: combined ab initio path integral molecular dynamics and the polarizable continuum model simulation study

Author： Yamada Kenta   Kawashima Yukio   Tachikawa Masanori  

Publisher： Taylor & Francis Ltd

E-ISSN： 1029-0435|41|10-12|832-839

ISSN： 0892-7022

Source： Molecular Simulation, Vol.41, Iss.10-12, 2015-08, pp. : 832-839

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